2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS 876667-41-3) is a chemical compound with molecular formula C11H14N4O and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-4H-pyrazol-3-one
Also Known As: BAS 12534145, 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethyl-2-pyrazolin-5-one, 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-4H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C11H14N4O |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 1.45204 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.11676 |
| Heavy Atoms | 16 |
| Complexity | 460.62296 |
Chemical Identifiers
| CAS Number | 876667-41-3 |
|---|---|
| SMILES | CC1C(=NN(C1=O)C2=NC(=CC(=N2)C)C)C |
Product Overview
2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS 876667-41-3), with molecular formula C11H14N4O and molecular weight 218.12 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-4H-pyrazol-3-one.
Chemical Property Profile of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.45204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 58.45 Ų, 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one is 876667-41-3.
What is the molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one is C11H14N4O.
What is the molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one is 218.12 g/mol.
Where can I buy 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.